Campos-Villalobos, G;
Ravipati, S;
Haslam, AJ;
Jackson, G;
Suaste, J;
Gil-Villegas, A;
(2019)
Modelling adsorption using an augmented two-dimensional statistical associating fluid theory: 2D-SAFT-VR Mie.
Molecular Physics
, 117
(23-24)
pp. 3770-3782.
10.1080/00268976.2019.1665724.
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Abstract
We present an extension of the SAFT-VR Mie approach to model adsorption of molecular fluids based on a two-dimensional (2D) approximation to describe the adsorbed fluid. Analytical results are provided for the first- and second-order perturbation terms of the free energy for the 2D system. The adsorption model is based on the assumption that the particle pair interactions in the adsorbed and bulk phases are described with the same Mie potential exponents λa and λr, in contrast with the square-well version of the 2D-SAFT-VR approach in which it is considered necessary to modify the attractive ranges of the SW interactions. This important difference between the two approaches leads to a reduction in the number of molecular parameters to be determined. In order to demonstrate the performance of the 2D-SAFT-VR Mie approach, we present results for the the modelling of carbon dioxide (CO2) and methane (CH4) adsorbed onto dry coal.
| Type: | Article |
|---|---|
| Title: | Modelling adsorption using an augmented two-dimensional statistical associating fluid theory: 2D-SAFT-VR Mie |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1080/00268976.2019.1665724 |
| Publisher version: | https://doi.org/10.1080/00268976.2019.1665724 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | SAFT-VR-Mie, adsorption, 2D fluids |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10113480 |
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